| SpectraBase Compound ID | A1xxqW6RMSp |
|---|---|
| InChI | InChI=1S/C12H12ClN3O2S/c1-7(18-10-5-3-4-9(13)6-10)11(17)14-12-16-15-8(2)19-12/h3-7H,1-2H3,(H,14,16,17) |
| InChIKey | AMTMACSENAYWOI-UHFFFAOYSA-N |
| Mol Weight | 297.76 g/mol |
| Molecular Formula | C12H12ClN3O2S |
| Exact Mass | 297.033876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HsDp16dqklZ |
|---|---|
| Name | 2-(3-Chlorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.033875510 u |
| Formula | C12H12ClN3O2S |
| InChI | InChI=1S/C12H12ClN3O2S/c1-7(18-10-5-3-4-9(13)6-10)11(17)14-12-16-15-8(2)19-12/h3-7H,1-2H3,(H,14,16,17) |
| InChIKey | AMTMACSENAYWOI-UHFFFAOYSA-N |
| Molecular Weight | 297.760 g/mol |
| SMILES | N(C=1SC(C)=NN1)C(C(OC1=CC(Cl)=CC=C1)C)=O |